4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline

C13H12Cl2N2S — CID 6278168

IUPAC4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline
SMILESC/C(=N/Nc1ccc(Cl)cc1C)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2S/c1-8-7-10(14)3-4-11(8)17-16-9(2)12-5-6-13(15)18-12/h3-7,17H,1-2H3/b16-9-
InChIKeyZCXMBTALHRYWMJ-SXGWCWSVSA-N
MW299.23 g/mol
LogP5.20
Rot. Bonds3

About 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline

4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline (PubChem CID 6278168) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline
PubChem CID6278168
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline
SMILESC/C(=N/Nc1ccc(Cl)cc1C)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2S/c1-8-7-10(14)3-4-11(8)17-16-9(2)12-5-6-13(15)18-12/h3-7,17H,1-2H3/b16-9-
InChIKeyZCXMBTALHRYWMJ-SXGWCWSVSA-N
XLogP5.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.23
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
4-chloro-2-methyl-N-[(E)-1-(1-methylpyrrol-2-yl)ethylideneamino]aniline
CID 7066785
4-chloro-2-methyl-N-[1-(1-methylpyrrol-2-yl)ethylideneamino]aniline
CID 5007721
4-chloro-3-[(2Z)-2-[1-(5-chlorothiophen-2-yl)ethylidene]hydrazinyl]benzoate
CID 8973742
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea
CID 7933526
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid
CID 8825867
5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8825843
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
N-(4-chloro-2-methylanilino)-3,3-dimethyl-2-oxobutanimidoyl cyanide
CID 23275175
3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine
CID 9150352
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline?
The IUPAC name of 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline (CID 6278168) is 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline?
The canonical SMILES for 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline is C/C(=N/Nc1ccc(Cl)cc1C)c1ccc(Cl)s1.
What is the InChIKey of 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline?
The InChIKey is ZCXMBTALHRYWMJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c1-8-7-10(14)3-4-11(8)17-16-9(2)12-5-6-13(15)18-12/h3-7,17H,1-2H3/b16-9-.
What are the key properties of 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline?
4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline has a molecular weight of 299.23 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline is sourced from PubChem (CID 6278168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).